Cresentyl
Basic information
- CAS
614-32-4- Standard SMILES
Cc1cccc(OC(=O)c2ccccc2)c1- InChIKey
XYKFCIJKMCQULO-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- Cresentyl
- IUPAC
- (3-methylphenyl) benzoate
- English name
- m-tolyl benzoate
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
CresentylBenzoic acid, 3-methylphenyl ester614-32-4m-Cresyl benzoatem-Cresol, benzoateBenzoic acid, m-tolyl ester55HL2W86YMNSC 6264NSC-6264EINECS 210-378-0AI3-01808DTXSID1060631
Show more names
AI301808AI3 01808meta-cresyl benzoateBenzoic acid m-tolyl esterBenzoic acid m-methylphenyl esterbenzoic acid (3-methylphenyl) ester
RefChem:579413DTXCID3043023m-Tolyl benzoate3-methylphenyl benzoate(3-methylphenyl) benzoateUNII-55HL2W86YMm-Kresolbenzoatmetacresyl benzoate
Database identifiers
- CAS
614-32-4- PubChem CID
- 69193
- DTXSID
DTXSID1060631- UNII
- 55HL2W86YM
- EC Number
- 210-378-0
- Nikkaji
- J136.478B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- LogP
- 3.433 · 3.433 (est)
- FDA UNII
- 55 HL2W86YM · 55HL2W86YM
- EPA Substance Registry System
- 3 · Benzoic acid, 3-methylphenyl ester (614-32-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 3-methylphenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3-methylphenyl ester: INACTIVE
Suppliers
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Related reactions
6 records
Compound notes
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